Information card for entry 4078007

Structure parameters

• Formula: C25 H43 B Mg N6
• Calculated formula: C25 H43 B Mg N6
• SMILES: C[Mg]12[n]3c(cc(C)n3[BH](n3c(cc(C(C)(C)C)[n]13)C)n1c(cc(C(C)(C)C)[n]21)C)C(C)(C)C
• Title of publication: Tris(pyrazolyl)borate Complexes of the Alkaline-Earth Metals: Alkylaluminate Precursors and Schlenk-Type Rearrangements
• Authors of publication: Michel, Olaf; Dietrich, H. Martin; Litlabø, Rannveig; Törnroos, Karl W.; Maichle-Mössmer, Cäcilia; Anwander, Reiner
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 8
• Pages of publication: 3119
• a: 22.402 ± 0.004 Å
• b: 22.402 ± 0.004 Å
• c: 22.402 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11242 ± 3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 220
• Hermann-Mauguin space group symbol: I -4 3 d
• Hall space group symbol: I -4bd 2c 3
• Residual factor for all reflections: 0.0345
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.0806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No